N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide

C14H17Cl2NO2 — CID 107675911

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-2-14(5-3-4-6-14)13(19)17-11-8-9(15)7-10(16)12(11)18/h7-8,18H,2-6H2,1H3,(H,17,19)
InChIKeyUIHNFUBKSXZDJN-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.61
Rot. Bonds3

About N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 107675911) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide
PubChem CID107675911
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-2-14(5-3-4-6-14)13(19)17-11-8-9(15)7-10(16)12(11)18/h7-8,18H,2-6H2,1H3,(H,17,19)
InChIKeyUIHNFUBKSXZDJN-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide
CID 114304884
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130126
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide (CID 107675911) is N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is UIHNFUBKSXZDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-2-14(5-3-4-6-14)13(19)17-11-8-9(15)7-10(16)12(11)18/h7-8,18H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107675911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).